Crystal structure of tetrakis(mu-2,4,6-trimethyl-benzoato-kappa O-2:O ')bis[(nicotinamide-kappa N-1)copper(II)]

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ASKIN G. S., Necefoglu H., Ozkaya S., Dilek N., HÖKELEK T.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.71, pp.989-1004, 2015 (ESCI) identifier identifier identifier


In the title binuclear Cu-II complex, [Cu-2(C10H11O2)(4)(C6H6N2O)(2)], the two Cu-II cations [Cu center dot center dot center dot Cu = 2.5990 (5) angstrom] are bridged by four 2,4,6-trimethylbenzoate (TMB) anions. The four nearest O atoms around each Cu-II cation form distorted square-planar arrangements and the distorted square-pyramidal coordinations are completed by the pyridine N atoms of nicotinamide molecules at distances of 2.164 (2) and 2.165 (2) angstrom, respectively. The Cu-II cations are displaced by -0.2045 (3) and 0.2029 (3) angstrom from the corresponding planes formed by the nearest four O atoms. In the molecule, the dihedral angles between the planes of the benzene rings and the adjacent carboxylate groups are 80.6 (2), 51.4 (2), 24.4 (2) and 32.5 (2)degrees, while the planes of the pyridine rings are oriented at a dihedral angle of 11.28 (10)degrees. In the crystal, bifurcated N-H center dot center dot center dot O and weak C-H center dot center dot center dot O hydrogen bonds link the molecules, enclosing R-2(2)(8) and R-4(4)(8) ring motifs, into a three-dimensional network. The structure contains a solvent-accessible void of 72 angstrom(3), but there is no solvent molecule located within this void. The crystal studied was an inversion twin refined with a minor component of 0.488 (8).